N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]-5-(pyrrolidin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride

C19H22ClN5O2 — CID 171709566

IUPACN-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]-5-(pyrrolidin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride
SMILESCl.O=C(NCc1ccc2[nH]c(=O)[nH]c2c1)c1cncc(CC2CCNC2)c1
InChIInChI=1S/C19H21N5O2.ClH/c25-18(15-6-14(9-21-11-15)5-13-3-4-20-8-13)22-10-12-1-2-16-17(7-12)24-19(26)23-16;/h1-2,6-7,9,11,13,20H,3-5,8,10H2,(H,22,25)(H2,23,24,26);1H
InChIKeyUFAXZNQJKMNAJW-UHFFFAOYSA-N
MW387.87 g/mol
LogP1.75
Rot. Bonds5

About N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]-5-(pyrrolidin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride

N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]-5-(pyrrolidin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride (PubChem CID 171709566) has the molecular formula C19H22ClN5O2 and a molecular weight of 387.87 g/mol. Its IUPAC name is N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]-5-(pyrrolidin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]-5-(pyrrolidin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride
PubChem CID171709566
Molecular FormulaC19H22ClN5O2
Molecular Weight387.87 g/mol
Exact Mass387.15
IUPAC NameN-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]-5-(pyrrolidin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride
SMILESCl.O=C(NCc1ccc2[nH]c(=O)[nH]c2c1)c1cncc(CC2CCNC2)c1
InChIInChI=1S/C19H21N5O2.ClH/c25-18(15-6-14(9-21-11-15)5-13-3-4-20-8-13)22-10-12-1-2-16-17(7-12)24-19(26)23-16;/h1-2,6-7,9,11,13,20H,3-5,8,10H2,(H,22,25)(H2,23,24,26);1H
InChIKeyUFAXZNQJKMNAJW-UHFFFAOYSA-N
XLogP1.75
TPSA102.67 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.87
LogP ≤ 51.75
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-5-(pyrrolidin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride
CID 171709608
N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-5-(pyrrolidin-3-ylmethyl)pyridine-3-carboxamide
CID 166618639
5-(pyrrolidin-3-ylmethyl)-N-[2-(4-sulfamoylphenyl)ethyl]pyridine-3-carboxamide;hydrochloride
CID 171708780
N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]pyridine-4-carboxamide;hydrochloride
CID 110785256
N-(1-methyl-4-phenylpyrazol-5-yl)-5-(pyrrolidin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride
CID 171711043
N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]-4-(pyrrolidin-3-ylmethyl)benzamide;hydrochloride
CID 171709577
5-hydroxy-N-(2-pyrrolidin-3-ylethyl)pyridine-3-carboxamide
CID 55257173
N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-5-(pyrrolidin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride
CID 171711960
N-(1-propyltriazol-4-yl)-5-(pyrrolidin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride
CID 171708016
5-bromo-N-(pyrrolidin-3-ylmethyl)pyridine-3-carboxamide
CID 80564437
5-phenyl-N-(2-pyrrolidin-3-ylethyl)pyridine-3-carboxamide;dihydrochloride
CID 119535829
1-cyclopentyl-3-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]urea
CID 110775425

Frequently Asked Questions

What is the IUPAC name of N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]-5-(pyrrolidin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride?
The IUPAC name of N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]-5-(pyrrolidin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride (CID 171709566) is N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]-5-(pyrrolidin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]-5-(pyrrolidin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]-5-(pyrrolidin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride is Cl.O=C(NCc1ccc2[nH]c(=O)[nH]c2c1)c1cncc(CC2CCNC2)c1.
What is the InChIKey of N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]-5-(pyrrolidin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride?
The InChIKey is UFAXZNQJKMNAJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2.ClH/c25-18(15-6-14(9-21-11-15)5-13-3-4-20-8-13)22-10-12-1-2-16-17(7-12)24-19(26)23-16;/h1-2,6-7,9,11,13,20H,3-5,8,10H2,(H,22,25)(H2,23,24,26);1H.
What are the key properties of N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]-5-(pyrrolidin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride?
N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]-5-(pyrrolidin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride has a molecular weight of 387.87 g/mol, XLogP of 1.75, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]-5-(pyrrolidin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride is sourced from PubChem (CID 171709566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).